CHEBI:117111 - 4-[1-(4-fluorophenyl)-2-nitroethyl]-5-methyl-2-phenyl-1H-pyrazol-3-one

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ChEBI Name 4-[1-(4-fluorophenyl)-2-nitroethyl]-5-methyl-2-phenyl-1H-pyrazol-3-one
ChEBI ID CHEBI:117111
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C18H16FN3O3
Net Charge 0
Average Mass 341.337
Monoisotopic Mass 341.11757
InChI InChI=1S/C18H16FN3O3/c1-12-17(18(23)22(20-12)15-5-3-2-4-6-15)16(11-21(24)25)13-7-9-14(19)10-8-13/h2-10,16,20H,11H2,1H3
InChIKey ZTFMVIJOPZLWHX-UHFFFAOYSA-N
SMILES CC1=C(C(=O)N(N1)C2=CC=CC=C2)C(C[N+](=O)[O-])C3=CC=C(C=C3)F
ChEBI Ontology
Outgoing 4-[1-(4-fluorophenyl)-2-nitroethyl]-5-methyl-2-phenyl-1H-pyrazol-3-one (CHEBI:117111) is a pyrazoles (CHEBI:26410)
4-[1-(4-fluorophenyl)-2-nitroethyl]-5-methyl-2-phenyl-1H-pyrazol-3-one (CHEBI:117111) is a ring assembly (CHEBI:36820)
Manual Xref Database
LSM-28558 LINCS
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